This study highlights the synthesis of innovative polyurethane materials derived from Moringa oleifera oils extracted from two distinct sources. The oils were converted into their respective polyols through the in situ generated performic acid method. Diverse material characteristics were observed due to different agroclimatic and cultivation conditions for the sources. Extraction yields were 45.21% (source 1) and 40.32% (source 2), with acid values of 28.70 and 26.00 mg KOH per g of oil, respectively. Oleic acid constituted 79.87 and 67.11% of the oils composition, respectively. Nuclear magnetic resonance and Fourier transform infrared spectroscopy (FTIR) confirmed the hydroxylation of the oils. FTIR also identified the isocyanate structures in the synthesized polyurethane materials. Gel permeation chromatography analysis revealed a higher oligomer content in the polyol synthesized from the oil extracted from source 2. Thermogravimetric analysis demonstrated enhanced thermal stability post-oil conversion, highlighting decomposition stages for rigid and flexible segments. Differential scanning calorimetry indicated higher unsaturation in the oil extracted from source 1, resulting in an elevated crystallization temperature. Tensile testing showed increased elasticity as the [NCO]/[OH] ratio decreased in the material, emphasizing the influence of polyol and crosslinking agent concentrations on mechanical resistance of polyurethane materials. sources method 4521 45 21 45.21 1 4032 40 32 40.32 2, 2 , 2) 2870 28 70 28.7 2600 26 00 26.0 respectively 7987 79 87 79.8 6711 67 11 67.11 composition (FTIR postoil post conversion segments temperature NCO/OH NCOOH NCO / OH [NCO]/[OH 452 4 45.2 403 3 40.3 287 7 28. 260 0 26. 798 8 79. 671 6 67.1 45. 40. 67.

This is an initial study using infrared (IR) in silico data as a standard database in preliminary method for new synthetic seized drugs. For this purpose, ten of the most common synthetic illicit seized substances on the Brazilian market were compared and computational chemistry was used as a tool for theoretical standard database. Infrared data from standard electronic library, experimental data from seized samples and data simulated by Density Functional Theory (DFT) were evaluated. The feasibility of the method was based on the degree of correlation of evaluated data. The results suggest that the computational methodology can be a viable way to analyze the structures of new synthetic drugs and obtain preliminary infrared profiles. Correlations data indicated a presumptive identification of the analyzed samples and it was also possible to observe a preliminary identification of drugs in five classes. However, it was observed that some synthetic cathinones and phenylethylamines were confused with amphetamines. Therefore, new studies must be developed to optimize the use of these data, because the simulated IR spectra can be advantageous to evaluate the profile of possible substances that may be synthesized in the future. (IR purpose library DFT (DFT profiles classes However amphetamines Therefore future

The aim of this work was to extract and characterize pectin from lyophilized noni pulp (Morinda citrifolia Linn.) at three different pHs using different extractor agents and to evaluate anti-viral activity. The extraction of high yield (acid extraction) was subjected to sulfation procedure. Fourier transform infrared spectroscopy and proton nuclear magneticresonance analysis were used to calculate the degree of methylation of pectin from acid extraction and its sulfated derivative. The data obtained for the degree of methylation of noni pectin and sulfated pectin were 30.3 and 30.7, respectively. Pectin was subjected to acute oral toxicity testing in mice. The results showed that pectin had a pro-inflammatory effect, and sulfated pectin had an anti-inflammatory effect. Both pectins were also evaluated for herpes simplex virus activity in vitro, and although they successfully inhibited virus replication, the sulfated pectins were cytotoxic. Morinda Linn. Linn antiviral anti viral procedure derivative 303 30 3 30. 307 7 30.7 respectively mice proinflammatory pro inflammatory effect antiinflammatory vitro replication cytotoxic

Poly(oxazoline)s (POZs) are a “new” class of biocompatible polymers that show unique and specific properties for modern biomedical and biomaterials design applications. In this work, POZs-coupled hydroxyethyl starch nanocapsules were developed in order to create a powerful protein suppressor vehicle. Herein, POZs of different molecular weights were used to functionalize the well-known hydroxyethyl starch nanocapsules (HES) surface by metal free “click” chemistry, in which HES have also been related to immune suppressor property. For each modification step, the capsules were characterized regarding size, morphology and charge surface, and, as expected, the “click” strategy kept a core-shell structure with an average diameter distribution < 200 nm. Additionally, previous to the post-polymerization modification step, the amount of free amino groups was determined by fluorescence intensity, allowing further “click” coupling of the surface of the capsules with POZs, later confirmed by gel permeation chromatography. Protein corona evaluation and aggregation assays in human plasma showed lower protein attaching for POZ-modified HES nanocapsules, than HES modified with polyethylene glycol (“PEGylated”-HES) and unmodified HES. Indeed, around 35% of “hard” protein corona of POZ-modified HES are clusterins, the apolipoprotein that can reduce the non-specific cellular uptake into macrophages, indicating that POZs have stealth behavior similar to polyethylene glycol (PEG), being a potential alternative to “PEGylated”-based nanocarriers. Polyoxazolines Poly oxazoline s (POZs new “new applications work POZscoupled coupled vehicle Herein wellknown well known (HES click “click chemistry property step size expected coreshell core shell 20 nm Additionally postpolymerization post polymerization intensity chromatography POZmodified POZ PEGylatedHES PEGylated (“PEGylated”-HES Indeed 35 hard “hard clusterins nonspecific non macrophages PEG, PEG , (PEG) PEGylatedbased based nanocarriers 2 3 (PEG

Criminal minds create new psychoactive substances (NPS) to dribble the Drug Regulatory System. Early Warning Systems (EWA) were instituted worldwide to combat this practice. Brazilian government has started establishing EWA at a national level since August 2021. The role of drug analysis laboratories in EWA is very important and experts working at forensic laboratories are in the main position to detect NPS and any changes in the molecular structures. However, for this practice, it is necessary to use reliable analyses techniques for unequivocal identification. The goal of this work is to use single-crystal X-ray diffraction (XRD) to detect the presence of NPS and elucidate its molecular structure using single crystals from a seized blotter paper. XRD is also useful to prepare reference substances to produce entries to be included in Fourier transformed infrared spectroscopy (FTIR) and mass spectrometry databases, which are some of the most relevant routine techniques in forensic laboratories. This approach was used to study the NPS 25R-NBOH and 25I-NBOMe using XRD, FTIR, Raman, and nuclear magnetic resonance spectroscopies. The results showed that molecular structure methods must be used to elucidate NPS in an unambiguous manner and the potential of XRD use in the forensic area as a reference method. (NPS System (EWA practice 2021 structures However identification singlecrystal crystal Xray X ray (XRD paper FTIR (FTIR databases 25RNBOH RNBOH 25R NBOH R 25INBOMe INBOMe 25I NBOMe I Raman spectroscopies method 202 20 2

Anacardic acid (AA) is a bioactive phytochemical found in the nutshell of Anacardium occidentale, a tropical plant originally from Brazil. In this work, cross-linked anacardic acid nanocapsules (NC) were obtained by interfacial polymerization carried out using the inverse miniemulsion technique with 2,4-toluene diisocyanate (TDI). For this purpose, a functionalized monomer from AA was synthesized for formation of lipase-cleavable ester linkages by coupling of amino acids. The synthesis was planned so that when these ester linkages get exposed to an enzyme, they are broken down and released AA. Furthermore, the N-termini of the coupled amino compounds were used as sites for the polyaddition with TDI at the droplet interface in the inverse miniemulsion. The permeability of the shell was studied on the fluorescent dye, sulforhodamine 101 (SR101), using fuorescence spectroscopy After redispersion in water, the enzymatic cleavage of NC and the release of the SR101 were both monitored in real time. The released AA was proven to be active in vitro against Bacillus subtilis colonies in the bacterial tests. The results indicate that the use of NC is a promising strategy, which can make feasible the application of AA for therapeutic purposes and as nanocarriers for the delivery of active components. (AA occidentale Brazil work crosslinked cross linked (NC 2,4toluene 24toluene toluene 2,4 2 4 TDI. . (TDI) purpose lipasecleavable lipase cleavable acids enzyme Furthermore Ntermini N termini dye 10 SR101, SR , (SR101) water SR10 time tests strategy components 4toluene 24 2, (TDI 1 (SR101 SR1 (SR10 (SR1 (SR

The main objective of this work was to develop a nanoemulsion based on linseed oil and betulinic acid, stabilized with Pluronic F127 and polyglycerol polyricinoleate, for anticancer applications. The nanoemulsions were synthesized by ultrasound and evaluated for in vitro cytotoxicity, particle size, polydispersity index, zeta potential, morphology, encapsulation efficiency, storage stability, rheology and in vitro release kinetics. In vitro cytotoxicity assays were performed by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay (72 h) against HCT-116 (colorectal carcinoma), SNB-19 (glioblastoma), NCI-H460 (lung carcinoma) and L-929 (normal fibroblasts) cells. The determination of 50% inhibitory concentration (IC50) showed an increased selectivity for the emulsified betulinic acid when compared to its free form for the HCT-116 cells. The IC50 values for the synthesized nanoemulsions showed a range from 3.2 to 3.7 µM (HCT-116), 5.6 and 11.5 µM (NCI-H460), 5.8 and 7.3 µM (SNB-19) and > 16.5 µM for normal fibroblasts. In the 48 h in vitro release assays, it presented controlled release explained by the Korsmeyer-Peppas model, releasing 572.25 and 619.95 µg of betulinic acid in a controlled way, generating promising perspectives for the prolonged release of betulinic acid in anticancer applications.

Plant phenolic extracts are widely recognized as an important source of natural antioxidant substances and potential compounds for cosmetic formulations. This study aimed to evaluate the chemical profile, photoprotective and antioxidant activities of stem bark extract of Spondias purpurea L. (ciriguela) and its application in photoprotective formulations. Thirty phenolic constituents were annotated by ultra-performance liquid chromatography coupled with an electrospray ionization quadrupole time-of-flight mass spectrometry in mode negative (UPLC-QTOF-MS2). The stem bark extract antioxidant and chelation potential, expressed in half maximal inhibitory concentration (IC50), showed 6.25 and 352.22 µg mL−1, respectively. The phenolic extract was used as an active ingredient in six sunscreen formulations, with concentrations ranging from 0.2 to 10%. The ultraviolet (UV) protection properties of the formulations were evaluated by sun protection factor (SPF) values obtained in 0.2 mg mL−1 (0.495 to 2.27) and 2.0 mg mL−1 (2.29 to 15.87). The SPF value for the extract (14.37 and 26.16) was high, but there was a reduction in the base formulation. However, these results suggested that the bioactive extracted of stem bark of Spondias purpurea L. has interesting potential to reduce the damage caused by UV radiation and may be utilized as an active ingredient in a sunscreen formulation.

Micelles have aroused interest due to their ability to assist in the transport of poorly soluble drugs. In this study the mixture of copolymers F127/E45S8 in different proportions (F/ES 30/70, 50/50 and 70/30) was performed to improve the bioavailability of griseofulvin and quercetin. The results of cytotoxicity (MTT assay) revealed that the copolymers F127 and E45S8 had considerable biocompatibility and did not affect the metabolism of human neutrophils. The binary systems were also evaluated by critical micellar concentration (CMC) and thermoresponsive behavior. The CMC values were intermediate to those of the isolated copolymers. The systems maintained the thermoresponsive properties present in F127 making the systems interesting for subcutaneous administration. The systems presented small size, an average range in size from 17 to 38 nm, and the samples prepared with higher hydrophobic proportion presented more uniform sizes. Results suggest stability and the increasing of the nanosystems circulation time. The F/ES 30/70 system has polydispersity smaller than 0.1 and showed an increase of 129 times for quercetin solubility. Thus, it is possible to consider F127/E45S8 micelles as potential nanosystems for poorly soluble drug delivery.

The known biotechnological properties of chitosan and the recent biological activities attributed to polysaccharides from Agaricus brasiliensis have been of interest to obtain films constituted by these two polymers. The glucans obtained from the mushroom inhibited about 96.5% of the ferrous ion, besides not promoting a significant increase of lactate dehydrogenase enzyme (LDH), which indicates that the polysaccharide is able to inhibit the production of radical species and also presents low cytotoxicity to the biological systems. The results of spectroscopy analyses in the infrared region (FTIR) and X-ray diffraction suggest an existing electrostatic interaction between the substances. A reduction in the films’ swelling capacity was observed with an increase in the polysaccharide content in the composition. In addition, scanning electron microscopy (SEM) revealed greater surface density of the films. In convening the biological properties of the substances, it is expected that this study raises interest in evaluating the films and their capacity for healing wounds and burns.

Improving the development of modified release matrix systems strictly depends on selecting an appropriate agent capable of controlling the drug's release. In this study, Adenanthera pavonina galactomannan was investigated as a potential basis for developing a controlled release of rutin. This galactomannan was extracted, purified and characterized by GPC, NMR and FT-IR spectroscopy. The mannose/galactose ratio (M/G) of 1.46 was calculated by the relative area from signals of the anomeric region of 1H-NMR spectrum. The main chain of this galactomannan consists of β(1®4)-D-mannose and α(1®6)-D-galactose linked units (1H-decoupled 13C NMR, 13C DEPT 135º NMR and HSQC spectra). The sustained-release tablets containing rutin and galactomannan were compared with the extensively investigated hydrophilic matrix HPMC. Drug release analysis revealed similar release mechanism for both matrices. A new formulation for controlled drug delivery from water-swellable matrix systems is proposed.

This work describes the development and characterization of triglyceride-based magnetic nanocomposites for application in magnetic hyperthermia and controlled drug delivery. The magnetic solid lipid nanocomposites (MSLN) constituted by mixtures of trilaurin-tricaprylin and trilaurin-tricaprin have been successfully obtained by emulsification-solvent evaporation method. The developed MSLNs were subjected to an external oscillating magnetic field and showed significant hyperthermia. The samples were exposed to frequencies of 688 and 869 kHz causing, respectively, a temperature increase of 15.5 and 22.7 °C (trilaurin-tricaprylin) and 17.3 and 26.1 °C (trilaurin-tricaprin). Also, in vitro assays in the absence of magnetic field showed that the triglyceride-based formulations were able first to encapsulate and then to sustained release an antitumoural hydrophobic drug. After 72 h of assay trilaurin-tricaprylin and trilaurin-tricaprin released 73 and 55% of their cargo, respectively. In addition, MSLN exhibited low in vitro cytotoxic activity against human neutrophils.

Binary mixtures of block copolymers E114CL20 and E97P69E97 (F127(®)) were prepared in order to tailor a drug delivery system with synergistic effect, concerning dilution stability and high drug solubility. Both reduction of the critical micelle concentrations (CMC) values and enhance hydrophobic drug solubility in F127/E114CL20 mixtures (30-50 wt.%) were observed by addition of the diblock E114CL20, also reaching the best enhancement of drug solubility for mangiferin and carbamazepine.

Melon is one of the most widely consumed fruits in the world. In Brazil, 60% of the production is for domestic consumption, with these fruits deemed to be of lower commercial value. For the first time, pectin has been extracted from this species of melon. So the extraction of this polysaccharide can be used as an alternative to increase the value of the fruit, improving profits in the domestic market where it can be used in many industries. The goal of this study is to determine, quantify, characterize and chemically modify by sulfation pectin from common melon for eventual application as an antithrombotic agent. The acidic, basic and neutral extractions yielded an average of 11%, 14% and 8% respectively. The FTIR spectrum revealed that pectin has a low degree of esterification (DE). The bands which appeared at 833 cm-1 and 1251 cm-1 can be attributed to the vibrations of C-O-S and S=O respectively, showing that the material was sulfated. The 13C NMR spectrum showed consistent carbon galacturonic acid peaks and agrees with the FTIR data and elemental analysis for the sulfation of pectin. The molecular weight (MW) determined by GPC was 7.7 x 105 g mol-1, consistent with pectin.

The binary mixtures of Brij® surfactant and Pluronic® F127 were studied as carriers of griseofulvin. The F127 systems and Brij® 78 (C18H37E20), Brij® 98 (C18H35E20) and Brij® 700 (C18H37E100) were prepared in the proportions 10/90, 30/70, 50/50 and 70/30, respectively. The characterizations were carried out by tube inversion, rheology, particle size, and theoretical cmcs. The griseofulvin solubilization tests were performed at 25 and 37 ºC in micellar solutions of 1 wt. % and quantified by UV/Vis. According to the rheological data, the presence of F127 make the F127/Brij 78 70/30 and F127/Brij 98 70/30 mixtures thermoresponsive at concentrations of 30 and 35 wt.%, with transition fluid/gel in the range of 28-30 ºC, ideal for topical use. All of the F127 / Brij 700 mixtures showed moderate distribution polydisperse (PDI < 0.4), as well as mixtures of F127 / Brij 98, with the exception of the mixture with ratio 30/70. Mixtures of F127 / Brij 78 had wide polydisperse distribution (PDI > 0.4). The optimal mixing for oral application would be of F127/Brij 78 because it exhibits greater solubilizing capacity (Scp) of griseofulvin at temperatures of 25 to 37 ºC when compared to F127 alone.